SCHEMBL730703

SCHEMBL730703

[c]1cc(-c2nnn[nH]2)cc(N2CCOCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.35
▸ MAPK10 P53779 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ XDH P47989 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ MAPT P10636 4/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ AR P10275 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1569866 0.78 HRH3 (0.40) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL3947775 0.74 LMNA (0.50) LMNAKDM4EALDH1A1MAPTHPGD
SCHEMBL1570038 0.71 AR (0.44) MAPK10LMNAKDM4EMAPTHTT
SCHEMBL1570123 0.71 BMPR1B (0.45) LRRK2MAPK10PDE3BPDE3APIK3CD
SCHEMBL732740 0.70 PIK3CA (0.35) LRRK2MAPK10LMNAXDHKDM4E
SCHEMBL27847540 0.70 LGMN (0.46) LMNAXDHKDM4EALDH1A1MAPT
SCHEMBL20143012 0.68 PRKDC (0.45) LMNAKDM4EALDH1A1MAPTTSHR
SCHEMBL1569971 0.68 CHEK1 (0.46) LRRK2ALDH1A1SMN1; SMN2HTTCYP1A2
SCHEMBL27943380 0.67 CNR2 (0.50) LMNAKDM4EALDH1A1MAPTHPGD
SCHEMBL159947 0.66 LMNA (0.42) LMNAKDM4EALDH1A1MAPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 — — EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 — — US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 — — EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 — — US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 LRRK2 2283/4885MAPK10 4191/4885LMNA 2503/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback